>compound L-Histidine_L-Histidine
#instrument UPLC Q-Tof Premier, Waters
>formula C6H9N3O2
#smiles OC(=O)C(N)Cc(c1)ncn1
#RECORD LC-ESI-QTOF_train_data/PR100755.txt;LC-ESI-QTOF_train_data/PR100028.txt;LC-ESI-QTOF_train_data/PR100027.txt;LC-ESI-QTOF_train_data/PR100321.txt;LC-ESI-QTOF_train_data/PR100495.txt
>charge -1
>ionization [M-H]-
>parentmass 154.06167

>collision 5-60
93.0466 87.38
110.0721 23.23
137.0345 54.39
154.0617 211.2

>collision 30
83.0618 2.097
110.0706 4.908
156.0772 16.3

>collision 5-60
110.0724 24.39
155.9701 5.0
155.9912 4.095
156.0773 330.9

>collision 5-60
83.0607 153.7
93.0449 107.1
110.0715 896.6
156.0773 227.5

>collision 5-60
72.0108 15.25
80.0388 23.91
81.0462 22.97
93.0461 131.1
108.0567 14.4
110.0719 35.88
136.051 25.48
137.0352 91.08
154.0617 293.3

